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Compound Detail

CHEMBL425133

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O=C(Nc1cccnc1)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1

Basic Information

ChEMBL ID CHEMBL425133
Phase Preclinical
Structure Type MOL
InChI Key LAMMGSMTEGESJZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.8
MW (Da)
4.93
ALogP
4
HBA
1
HBD
61.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23BrClN5O
MW 512.84
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.36

Activity Summary

IC50 2 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.68 6.055 210.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526562 10.1021/jm970462w Protein farnesyltransferase 2
9526562 10.1021/jm970462w geranylgeranyltransferase type-I 1

Data from ChEMBL 36 via Core Engine